ChemDB: Chemical Search
Download
Chemical ID: 6936275
Chemical ID:
6936275
Name [?]:
(4-diethylaminophenyl)-(1,2,3,4-tetrahydrocarbazol-9-yl)methanone
SMILES [?]:
CCN(CC)c1ccc(cc1)C(=O)n2c3ccccc3c4c2CCCC4
InChi [?]:
InChI=1/C23H26N2O/c1-3-24(4-2)18-15-13-17(14-16-18)23(26)25-21-11-7-5-9-19(21)20-10-6-8-12-22(20)25/h5,7,9,11,13-16H,3-4,6,8,10,12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,5,2,4,18,25,17,24,19,26,16,23,8,10,7,11,9,6,20,21,15,22,12,3,14,13/E:(1,2)(3,4)(13,14)(15,16)/rA:26nCCNCCCCCCCCCONCCCCCCCCCCCC/rB:s1;s2;s3;s4;s3;s6;d7;s8;d9;d6s10;s9;d12;s12;s14;s15;d16;s17;d18;d15s19;s20;s14d21;s22;s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H26N2O |
All Atoms: | 52 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.0721 |
Area: | 566.172 |
Solvation: | -2.08223 |
Coulombic: | -25.014 |
Bond Count [?]
All: | 29 |
Single: | 21 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 346.465 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 5.07 |
LogP (Chemaxon): | 5.5 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|